SCHEMBL7973682

SCHEMBL7973682

CC=C(NCCOC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10986277 0.81 KDM4E (0.35) HPGDMEN1KMT2AKDM4EGLA
SCHEMBL10899308 0.80 ACHE (0.48) EGLN1
SCHEMBL10982032 0.79 POLB (0.37) HPGDMAPK1MEN1KMT2AKDM4E
SCHEMBL8081528 0.79 EGLN1 (0.44) MAPK1MEN1KMT2AEGLN1SMN1; SMN2
SCHEMBL8081526 0.79 EGLN1 (0.44) MAPK1MEN1KMT2AEGLN1SMN1; SMN2
SCHEMBL8469504 0.77 EPHX1 (0.50)
SCHEMBL12323487 0.75 TSHR (0.42) HPGDMAPK1MEN1KMT2AEGLN1
SCHEMBL9493217 0.75 ACHE (0.50) HPGDMAPK1MEN1KMT2AGLA
SCHEMBL24170109 0.75 CYP2D6 (0.47) HPGDMAPK1MEN1KMT2AEGLN1
SCHEMBL6729528 0.72 NPSR1 (0.43) MAPK1MEN1KMT2AEGLN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 US disclosed
EP-0735083-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL EUROP (CH) 2000-02-09 EP disclosed
WO-1999043666-A1 PHOTOCHROMATIC COMPOSITIONS ENDOWED WITH LIGHT FATIGUE RESISTANCE AND PHOTOCHROMATIC ARTICLES CONTAINING THEM GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1999-09-02 WO disclosed
EP-0735083-A1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1996-10-02 EP disclosed